Cas no 42872-29-7 (3-(1-cyanoethyl)benzoyl chloride)
42872-29-7 structure
Product Name:3-(1-cyanoethyl)benzoyl chloride
CAS No:42872-29-7
MF:C10H8ClNO
MW:193.629621505737
CID:1020054
PubChem ID:3016393
Update Time:2025-04-20
3-(1-cyanoethyl)benzoyl chloride Chemical and Physical Properties
Names and Identifiers
-
- 3-(1-cyanoethyl)benzoyl chloride
- 3-(l-cyanoethyl)benzoyl chloride
- EINECS 255-980-4
- DB-261476
- SCHEMBL1891064
- alpha-(m-chlorocarbonylphenyl)propionitrile
- NS00004023
- 2-(3-chloroformyl-phenyl)propionitrile
- DTXSID60962751
- EC 255-980-4
- 42872-29-7
-
- Inchi： 1S/C10H8ClNO/c1-7(6-12)8-3-2-4-9(5-8)10(11)13/h2-5,7H,1H3
- InChI Key： XXQNFMGCPMJJSJ-UHFFFAOYSA-N
- SMILES： ClC(C1=CC=CC(=C1)C(C#N)C)=O
Computed Properties
- Exact Mass: 193.0294416g/mol
- Monoisotopic Mass: 193.0294416g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 243
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 40.9?2
3-(1-cyanoethyl)benzoyl chloride Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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